(4S)-N-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)-4-Fluoro-L-Glutamic Acid

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Formula C20H21FN8O5
IUPAC Name (2s,4s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-fluoro-pentanedioic acid
Molecular Mass 472.430 g·mol−1
Heat of Formation -731.7 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 524.03 Å 3
Surface Area 426.38 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-fluoro-glutaric acid
  • (2s,4s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-fluoro-pentanedioic acid
  • (2s,4s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-4-fluoro-pentanedioic acid
  • (2s,4s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-4-fluoropentanedioic acid
InChIKey FPCVFWSJHMLPDB-STQMWFEESA-N
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